2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol

C20H19ClFNO2 — CID 86301177

IUPAC2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
SMILESCc1nc2cc(OCc3ccc(F)c(Cl)c3)ccc2cc1C(C)(C)O
InChIInChI=1S/C20H19ClFNO2/c1-12-16(20(2,3)24)9-14-5-6-15(10-19(14)23-12)25-11-13-4-7-18(22)17(21)8-13/h4-10,24H,11H2,1-3H3
InChIKeyUBYCQPPZJHLQQF-UHFFFAOYSA-N
MW359.83 g/mol
LogP5.14
Rot. Bonds4

About 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol

2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol (PubChem CID 86301177) has the molecular formula C20H19ClFNO2 and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
PubChem CID86301177
Molecular FormulaC20H19ClFNO2
Molecular Weight359.83 g/mol
Exact Mass359.11
IUPAC Name2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
SMILESCc1nc2cc(OCc3ccc(F)c(Cl)c3)ccc2cc1C(C)(C)O
InChIInChI=1S/C20H19ClFNO2/c1-12-16(20(2,3)24)9-14-5-6-15(10-19(14)23-12)25-11-13-4-7-18(22)17(21)8-13/h4-10,24H,11H2,1-3H3
InChIKeyUBYCQPPZJHLQQF-UHFFFAOYSA-N
XLogP5.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol (CID 86301177) is 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol is Cc1nc2cc(OCc3ccc(F)c(Cl)c3)ccc2cc1C(C)(C)O.
What is the InChIKey of 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The InChIKey is UBYCQPPZJHLQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO2/c1-12-16(20(2,3)24)9-14-5-6-15(10-19(14)23-12)25-11-13-4-7-18(22)17(21)8-13/h4-10,24H,11H2,1-3H3.
What are the key properties of 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol has a molecular weight of 359.83 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol is sourced from PubChem (CID 86301177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).